Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL15787294 | 0.81 | ALDH1A1 (0.43) | CYP1A2ALDH1A1SMN1; SMN2CYP2C19CNR1 | |
| SCHEMBL8284256 | 0.81 | PKM (0.41) | CYP1A2SLC6A2SLC6A4SLC6A3TAAR1 | |
| SCHEMBL5316346 | 0.81 | TDP1 (0.48) | CYP1A2SLC6A2SLC6A3TAAR1ALDH1A1 | |
| SCHEMBL15787619 | 0.81 | ALDH1A1 (0.43) | CYP1A2ALDH1A1SMN1; SMN2CYP2C19CNR1 | |
| SCHEMBL4538533 | 0.79 | SLC6A4 (0.42) | SLC6A2SLC6A4SLC6A3TAAR1SMN1; SMN2 | |
| SCHEMBL6631545 | 0.79 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL6646740 | 0.79 | TRPA1 (0.41) | TAAR1 | |
| Hydrochloric Acid SCHEMBL4784533 | 0.79 | TDP1 (0.47) | CYP1A2SLC6A2SLC6A4SLC6A3TAAR1 | |
| SCHEMBL1964723 | 0.78 | ALDH1A1 (0.55) | TAAR1ALDH1A1HTR2APKMCYP2C19 | |
| SCHEMBL4110424 | 0.78 | ALDH1A1 (0.55) | TAAR1ALDH1A1HTR2APKMCYP2C19 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8247576-B2 | Pyrazole derivatives as protein kinase modulators | ASTEX THERAPEUTICS LIMITED (GB) | 2012-08-21 | — | — | US | disclosed |
| US-20110144080-A1 | PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2011-06-16 | — | — | US | disclosed |
| EP-2013206-A1 | PHARMACEUTICAL COMPOUNDS | Astex Therapeutics Limited (GB) | 2009-01-14 | — | — | EP | disclosed |
| EP-1919875-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | Astex Therapeutics Limited (GB) | 2008-05-14 | — | — | EP | disclosed |
| EP-1904451-A1 | ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS | Astex Therapeutics Limited (GB) | 2008-04-02 | — | — | EP | disclosed |
| EP-1902032-A1 | PHARMACEUTICAL COMPOUNDS | Astex Therapeutics Limited (GB) | 2008-03-26 | — | — | EP | disclosed |
| WO-2007125320-A1 | PHARMACEUTICAL COMPOUNDS | ASTEX THERAPEUTICS LIMITED (GB) | 2007-11-08 | — | — | WO | disclosed |
| WO-2006136829-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | disclosed |
| WO-2006136830-A1 | ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | disclosed |
| WO-2006136823-A1 | HETEROCYCLIC CONTAINING AMINES AS KINASE B INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | disclosed |
| WO-2006136821-A1 | PHARMACEUTICAL COMPOUNDS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | disclosed |
| EP-1706385-A1 | PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS | Astex Therapeutics Limited (GB) | 2006-10-04 | — | — | EP | disclosed |
| WO-2005061463-A1 | PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2005-07-07 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110144080-A1 | PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS | GRK3, GRK2, NR0B2 | CYP1A2 1937/4885SLC6A2 4600/4885SLC6A4 4333/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.